1-[(Tert-butoxy)carbonyl]piperidine-2-carboxylic acid

HCID 581831

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 118552-55-9
표준 SMILES: CC(C)(C)OC(=O)N1CCCCC1C(=O)O
InChIKey: JQAOHGMPAAWWQO-UHFFFAOYSA-N
분자식: C11H19NO4
평균 분자량: 229.27 g/mol
단동위원소 질량: 229.13140809

이름 및 식별자

우선 이름: 1-[(Tert-butoxy)carbonyl]piperidine-2-carboxylic acid
IUPAC: 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
영어명: N-Boc-DL-pipecolinic acid
분자식: C11H19NO4
분자량: 229.27

이름 및 동의어

1-[(tert-butoxy)carbonyl]piperidine-2-carboxylic acid1-((tert-butoxy)carbonyl)piperidine-2-carboxylic acidRefChem:419119628-632-898303-20-91-(tert-butoxycarbonyl)piperidine-2-carboxylic acidN-Boc-2-piperidinecarboxylic acidN-Boc-DL-pipecolinic acid1-Boc-piperidine-2-carboxylic acid118552-55-9Boc-DL-Pip-OH1-tert-Butoxycarbonylpiperidine-2-carboxylic acid

이름 더 보기

BOC-DL-HOPRO-OHBOC-DL-PIC(2)-OHBOC-DL-HOMOPRO-OHBOC-DL-HOMOPROLINERARECHEM AH CK 0059BOC-DL-PIPECOLIC ACIDorN-Boc-2-PiperidinecarboxylicacidN-BOC-PIPERIDINE-2-CARBOXYLIC ACID1-N-BOC-2-PIPERIDINECARBOXYLIC ACID

MFCD018628771,2-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) esterN-Boc-DL-pipecolic acidE2P5PJ52SHboc-(rs)-piperidine-2-carboxylic acidDL-Boc-pipecolic Acid1-Boc-pipecolinic AcidUNII-E2P5PJ52SH

데이터베이스 식별자

CAS: 118552-55-9、98303-20-9
PubChem CID: 581831
DTXSID: DTXSID70922705
UNII: E2P5PJ52SH
EC Number: 628-632-8
Nikkaji: J527.179G

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 282

물리화학적 성질

녹는점: 130 · 130-133 °C(lit.)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.